Crystal structure of a monomeric retroviral protease solved by protein folding game players

被引：274

作者：

Khatib, Firas ^{[1
]}

DiMaio, Frank ^{[1
]}

Cooper, Seth ^{[2
]}

Kazmierczyk, Maciej ^{[3
]}

Gilski, Miroslaw ^{[3
,6
]}

Krzywda, Szymon ^{[3
]}

Zabranska, Helena ^{[4
]}

Pichova, Iva ^{[4
]}

Thompson, James ^{[1
]}

Popovic, Zoran ^{[2
]}

Jaskolski, Mariusz ^{[3
,6
]}

Baker, David ^{[1
,5
]}

机构：

[1] Univ Washington, Dept Biochem, Seattle, WA 98195 USA

[2] Univ Washington, Dept Comp Sci & Engn, Seattle, WA 98195 USA

[3] Adam Mickiewicz Univ, Fac Chem, Dept Crystallog, Poznan, Poland

[4] Acad Sci Czech Republic, Inst Organ Chem & Biochem, Prague, Czech Republic

[5] Univ Washington, Howard Hughes Med Inst, Seattle, WA 98195 USA

[6] Polish Acad Sci, Inst Bioorgan Chem, Ctr Biocrystallog Res, Poznan, Poland

来源：

NATURE STRUCTURAL & MOLECULAR BIOLOGY | 2011年 / 18卷 / 10期

基金：

美国国家科学基金会;

关键词：

STRUCTURE PREDICTION; INHIBITORS;

D O I：

10.1038/nsmb.2119

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Following the failure of a wide range of attempts to solve the crystal structure of M-PMV retroviral protease by molecular replacement, we challenged players of the protein folding game Foldit to produce accurate models of the protein. Remarkably, Foldit players were able to generate models of sufficient quality for successful molecular replacement and subsequent structure determination. The refined structure provides new insights for the design of antiretroviral drugs.

引用

页码：1175 / 1177

页数：3

共 11 条

[1] Predicting protein structures with a multiplayer online game
Cooper, Seth
Khatib, Firas
Treuille, Adrien
Barbero, Janos
Lee, Jeehyung
Beenen, Michael
Leaver-Fay, Andrew
Baker, David
Popovic, Zoran
Players, Foldit
[J]. NATURE, 2010, 466 (7307) : 756 - 760
[2] Improved molecular replacement by density- and energy-guided protein structure optimization
DiMaio, Frank
Terwilliger, Thomas C.
Read, Randy J.
Wlodawer, Alexander
Oberdorfer, Gustav
Wagner, Ulrike
Valkov, Eugene
Alon, Assaf
Fass, Deborah
Axelrod, Herbert L.
Das, Debanu
Vorobiev, Sergey M.
Iwai, Hideo
Pokkuluri, P. Raj
Baker, David
[J]. NATURE, 2011, 473 (7348) : 540 - U149
[3] Kinch LN, PROTEINS IN PRESS
[4] Potent inhibition of HIV-1 replication by novel non-peptidyl small molecule inhibitors of protease dimerization
Koh, Yasuhiro
Matsumi, Shintaro
Das, Debananda
Amano, Masayuki
Davis, David A.
Li, Jianfeng
Leschenko, Sofiya
Baldridge, Abigail
Shioda, Tatsuo
Yarchoan, Robert
Ghosh, Arun K.
Mitsuya, Hiroaki
[J]. JOURNAL OF BIOLOGICAL CHEMISTRY, 2007, 282 (39) : 28709 - 28720
[5] Assessment of protein structure refinement in CASP9
MacCallum, Justin L.
Perez, Alberto
Schnieders, Michael J.
Hua, Lan
Jacobson, Matthew P.
Dill, Ken A.
[J]. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2011, 79 : 74 - 90
[6] Inhibitors of HIV-1 protease: Current state of the art 10 years after their introduction. from Antiretroviral drugs to antifungal, antibacterial and antitumor agents based on aspartic protease inhibitors
Mastrolorenzo, Antonio
Rusconi, Stefano
Scozzafava, Andrea
Barbaro, Giuseppe
Supuran, Claudiu T.
[J]. CURRENT MEDICINAL CHEMISTRY, 2007, 14 (26) : 2734 - 2748
[7] Phaser crystallographic software
McCoy, Airlie J.
Grosse-Kunstleve, Ralf W.
Adams, Paul D.
Winn, Martyn D.
Storoni, Laurent C.
Read, Randy J.
[J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2007, 40 : 658 - 674
[8] Rohl CA, 2004, METHOD ENZYMOL, V383, P66
[9] The HHpred interactive server for protein homology detection and structure prediction
Söding, J
Biegert, A
Lupas, AN
[J]. NUCLEIC ACIDS RESEARCH, 2005, 33 : W244 - W248
[10] Three-dimensional structure of a monomeric form of a retroviral protease
Veverka, V
Bauerová, H
Zábransky, A
Lang, J
Ruml, T
Pichová, I
Hrabal, R
[J]. JOURNAL OF MOLECULAR BIOLOGY, 2003, 333 (04) : 771 - 780

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